Geometry & MOs

Info

ID:	269835
PubChem CID:	103619305
Reduced:	BrNSO2F3C11H11 (1)
Stoich.:	ABCD2E3F11G11 (1)
Weight, g/mol:	295.085384
ΔH_f, kcal/mol:	-199.56
Dipole, Da:	3.87
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethoxyphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC(=C2)CNCCSC(F)(F)F)Br

DOS

IR

Vibrations